5-imidazo[1,5-a]pyridin-1-yl-4-imidazo[1,2-a]pyrimidin-2-yl-3-(1H-indazol-3-yl)-1-(1H-indol-2-yl)isoquinoline

C37H23N9 — CID 141166590

IUPAC5-imidazo[1,5-a]pyridin-1-yl-4-imidazo[1,2-a]pyrimidin-2-yl-3-(1H-indazol-3-yl)-1-(1H-indol-2-yl)isoquinoline
SMILESc1ccc2[nH]c(-c3nc(-c4n[nH]c5ccccc45)c(-c4cn5cccnc5n4)c4c(-c5ncn6ccccc56)cccc34)cc2c1
InChIInChI=1S/C37H23N9/c1-3-13-26-22(9-1)19-28(40-26)33-24-11-7-12-25(34-30-15-5-6-17-46(30)21-39-34)31(24)32(29-20-45-18-8-16-38-37(45)41-29)36(42-33)35-23-10-2-4-14-27(23)43-44-35/h1-21,40H,(H,43,44)
InChIKeyHUBDQEHLCMCVDF-UHFFFAOYSA-N
MW593.65 g/mol
LogP7.95
Rot. Bonds4

About 5-imidazo[1,5-a]pyridin-1-yl-4-imidazo[1,2-a]pyrimidin-2-yl-3-(1H-indazol-3-yl)-1-(1H-indol-2-yl)isoquinoline

5-imidazo[1,5-a]pyridin-1-yl-4-imidazo[1,2-a]pyrimidin-2-yl-3-(1H-indazol-3-yl)-1-(1H-indol-2-yl)isoquinoline (PubChem CID 141166590) has the molecular formula C37H23N9 and a molecular weight of 593.65 g/mol. Its IUPAC name is 5-imidazo[1,5-a]pyridin-1-yl-4-imidazo[1,2-a]pyrimidin-2-yl-3-(1H-indazol-3-yl)-1-(1H-indol-2-yl)isoquinoline.

Molecular Properties

Compound Name5-imidazo[1,5-a]pyridin-1-yl-4-imidazo[1,2-a]pyrimidin-2-yl-3-(1H-indazol-3-yl)-1-(1H-indol-2-yl)isoquinoline
PubChem CID141166590
Molecular FormulaC37H23N9
Molecular Weight593.65 g/mol
Exact Mass593.21
IUPAC Name5-imidazo[1,5-a]pyridin-1-yl-4-imidazo[1,2-a]pyrimidin-2-yl-3-(1H-indazol-3-yl)-1-(1H-indol-2-yl)isoquinoline
SMILESc1ccc2[nH]c(-c3nc(-c4n[nH]c5ccccc45)c(-c4cn5cccnc5n4)c4c(-c5ncn6ccccc56)cccc34)cc2c1
InChIInChI=1S/C37H23N9/c1-3-13-26-22(9-1)19-28(40-26)33-24-11-7-12-25(34-30-15-5-6-17-46(30)21-39-34)31(24)32(29-20-45-18-8-16-38-37(45)41-29)36(42-33)35-23-10-2-4-14-27(23)43-44-35/h1-21,40H,(H,43,44)
InChIKeyHUBDQEHLCMCVDF-UHFFFAOYSA-N
XLogP7.95
TPSA104.85 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500593.65
LogP ≤ 57.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 5-imidazo[1,5-a]pyridin-1-yl-4-imidazo[1,2-a]pyrimidin-2-yl-3-(1H-indazol-3-yl)-1-(1H-indol-2-yl)isoquinoline with MolForge

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Related Compounds

3-(1H-indazol-3-yl)-6-indolizin-1-yl-4-(1H-indol-2-yl)-5-(2H-isoindol-1-yl)-1-(7H-purin-2-yl)-7-thiophen-2-ylisoquinoline
CID 140971019
2-[5-(1H-indazol-3-yl)-2-(1H-indol-2-yl)-1H-imidazol-4-yl]-1H-pyrrolo[3,2-b]pyridine
CID 141368891
2-[4-(16-hexacyclo[12.10.2.02,7.08,13.018,26.021,25]hexacosa-1(24),2,4,6,8,10,12,14(26),15,17,19,21(25),22-tridecaenyl)phenyl]imidazo[1,2-a]pyrimidine
CID 167412682
2-[4-[4-(19-heptacyclo[12.10.2.26,9.02,7.08,13.018,26.021,25]octacosa-1(24),2,4,6,8,10,12,14(26),15,17,19,21(25),22,27-tetradecaenyl)phenyl]naphthalen-1-yl]imidazo[1,2-a]pyrimidine
CID 167412697
2-pyridin-2-ylimidazo[1,2-a]pyrimidine
CID 70500058
2-[5-(4-heptacyclo[12.10.2.26,9.02,7.08,13.018,26.021,25]octacosa-1(24),2(7),3,5,8,10,12,14,16,18(26),19,21(25),22,27-tetradecaenyl)pyrimidin-2-yl]imidazo[1,2-a]pyrimidine
CID 167412741
2-(3-imidazo[1,2-a]pyrimidin-2-ylphenyl)isoindole-1,3-dione
CID 168519884
2-[5-(1H-benzimidazol-2-yl)-1H-imidazol-2-yl]imidazo[1,2-a]pyrimidine
CID 141166589
6-(2-fluoro-4-pyridinyl)-3-(1H-indol-2-yl)-1H-indazole
CID 135532327
3-(1H-indol-2-yl)-1H-indazole-6-sulfonamide
CID 135506581
2-(1H-indazol-3-yl)-1H-indole-6-carboxylic acid
CID 135445358
2-[4-(10,10-dimethyl-14,21-dinaphthalen-1-yl-7-pentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(21),2,4(9),5,7,11,13,15,17,19-decaenyl)phenyl]imidazo[1,2-a]pyrimidine
CID 89178306

Frequently Asked Questions

What is the IUPAC name of 5-imidazo[1,5-a]pyridin-1-yl-4-imidazo[1,2-a]pyrimidin-2-yl-3-(1H-indazol-3-yl)-1-(1H-indol-2-yl)isoquinoline?
The IUPAC name of 5-imidazo[1,5-a]pyridin-1-yl-4-imidazo[1,2-a]pyrimidin-2-yl-3-(1H-indazol-3-yl)-1-(1H-indol-2-yl)isoquinoline (CID 141166590) is 5-imidazo[1,5-a]pyridin-1-yl-4-imidazo[1,2-a]pyrimidin-2-yl-3-(1H-indazol-3-yl)-1-(1H-indol-2-yl)isoquinoline.
What is the SMILES notation for 5-imidazo[1,5-a]pyridin-1-yl-4-imidazo[1,2-a]pyrimidin-2-yl-3-(1H-indazol-3-yl)-1-(1H-indol-2-yl)isoquinoline?
The canonical SMILES for 5-imidazo[1,5-a]pyridin-1-yl-4-imidazo[1,2-a]pyrimidin-2-yl-3-(1H-indazol-3-yl)-1-(1H-indol-2-yl)isoquinoline is c1ccc2[nH]c(-c3nc(-c4n[nH]c5ccccc45)c(-c4cn5cccnc5n4)c4c(-c5ncn6ccccc56)cccc34)cc2c1.
What is the InChIKey of 5-imidazo[1,5-a]pyridin-1-yl-4-imidazo[1,2-a]pyrimidin-2-yl-3-(1H-indazol-3-yl)-1-(1H-indol-2-yl)isoquinoline?
The InChIKey is HUBDQEHLCMCVDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H23N9/c1-3-13-26-22(9-1)19-28(40-26)33-24-11-7-12-25(34-30-15-5-6-17-46(30)21-39-34)31(24)32(29-20-45-18-8-16-38-37(45)41-29)36(42-33)35-23-10-2-4-14-27(23)43-44-35/h1-21,40H,(H,43,44).
What are the key properties of 5-imidazo[1,5-a]pyridin-1-yl-4-imidazo[1,2-a]pyrimidin-2-yl-3-(1H-indazol-3-yl)-1-(1H-indol-2-yl)isoquinoline?
5-imidazo[1,5-a]pyridin-1-yl-4-imidazo[1,2-a]pyrimidin-2-yl-3-(1H-indazol-3-yl)-1-(1H-indol-2-yl)isoquinoline has a molecular weight of 593.65 g/mol, XLogP of 7.95, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-imidazo[1,5-a]pyridin-1-yl-4-imidazo[1,2-a]pyrimidin-2-yl-3-(1H-indazol-3-yl)-1-(1H-indol-2-yl)isoquinoline is sourced from PubChem (CID 141166590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).